SCHEMBL625670

SCHEMBL625670

CC1=NCCc2cc(F)c(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK10 P53779 3/20 0.33
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17167354 0.79 MAOA (0.61) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL1010472 0.77 MAOA (0.50) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL30656741 0.77 MAOA (0.50) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL1009901 0.77 MAOA (0.50) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL28739461 0.76 MAOA (0.58) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL1148346 0.73 MAOA (1.00) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL2616773 0.72 MAOA (0.53) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL1009906 0.72 MAOA (0.53) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL4766558 0.72 MAOA (0.53) MAOAALDH1A1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL10660329 0.72 MAOA (0.96) MAOAALDH1A1KDM4EGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603217-B1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE MONTISERA LTD (FI) 2015-04-08 EP claimed
US-8815898-B2 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2014-08-26 US claimed
EP-2603217-A1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE Montisera Ltd (FI) 2013-06-19 EP claimed
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2013-05-30 US claimed
WO-2012020170-A1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE Takio Ville (FI) 2012-02-16 WO claimed
EP-2603217-B1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE MONTISERA LTD (FI) 2015-04-08 EP disclosed
US-8815898-B2 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2014-08-26 US disclosed
EP-2603217-A1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE Montisera Ltd (FI) 2013-06-19 EP disclosed
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use MONTISERA LTD (FI) 2013-05-30 US disclosed
WO-2012020170-A1 NOVEL 6,7-DISUBSTITUTED-ISOQUINOLINE DERIVATIVES AND THEIR USE Takio Ville (FI) 2012-02-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137719-A1 Novel 6,7-disubstituted-sioquinoline derivatives and their use OPRM1, OPRK1, SULT2A1 MAOA 222/4885ALDH1A1 285/4885KDM4E 1620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.